N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide

C11H15BrFNO2S — CID 47363963

IUPACN-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO2S/c1-2-3-6-17(15,16)14-8-9-7-10(12)4-5-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyBDWDCAMVWFRYML-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.81
Rot. Bonds6

About N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide

N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide (PubChem CID 47363963) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
PubChem CID47363963
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO2S/c1-2-3-6-17(15,16)14-8-9-7-10(12)4-5-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyBDWDCAMVWFRYML-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
CID 110780977
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobutane-1-sulfonamide
CID 116816016
4-[(5-bromo-2-fluorophenyl)methylsulfamoyl]butanoic acid
CID 61299271
1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine
CID 114808753
N-[(3,4-difluorophenyl)methyl]butane-1-sulfonamide
CID 110781060
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide
CID 19680731
N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide
CID 49244750
N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106065163
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide
CID 65427676
N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide
CID 110783047

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide (CID 47363963) is N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide?
The InChIKey is BDWDCAMVWFRYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-2-3-6-17(15,16)14-8-9-7-10(12)4-5-11(9)13/h4-5,7,14H,2-3,6,8H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide?
N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide has a molecular weight of 324.22 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 47363963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).